Oqmd Structure
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"oqmd-998915", "created_at": "2022-09-04T15:26:13.948325Z", "updated_at": "2022-09-04T15:26:13.948355Z", "structure_string": "Cu1 Tc1 Bi1 As1\n1.0\n0.000000 3.328011 3.328011\n3.328011 0.000000 3.328011\n3.328011 3.328011 0.000000\nAs Bi Cu Tc\n1 1 1 1\ndirect\n0.250001 0.250001 0.250001 As\n0.000000 0.000000 0.000000 Bi\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 Tc\n", "nsites": 4, "nelements": 4, "elements": [ "As", "Bi", "Cu", "Tc" ], "chemical_system": "As-Bi-Cu-Tc", "density": 10.033717191027705, "density_atomic": 0.054259493625547356, "volume": 73.71981809496013, "volume_molar": 11.098778034236124, "formula_full": "Cu1 Tc1 Bi1 As1", "formula_reduced": "CuTcBiAs", "formula_anonymous": "ABCD", "formation_energy": 0.699299756249999, "spacegroup": 216 }, { "id": "oqmd-998914", "created_at": "2022-09-04T15:26:13.606241Z", "updated_at": "2022-09-04T15:26:13.606270Z", "structure_string": "Ta1 Cu1 Tc1 As1\n1.0\n0.000000 3.116311 3.116311\n3.116311 0.000000 3.116311\n3.116311 3.116311 0.000000\nAs Cu Ta Tc\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 As\n0.750001 0.750001 0.750001 Cu\n0.000000 0.000000 0.000000 Ta\n0.250001 0.250001 0.250001 Tc\n", "nsites": 4, "nelements": 4, "elements": [ "As", "Cu", "Ta", "Tc" ], "chemical_system": "As-Cu-Ta-Tc", "density": 11.451576398746855, "density_atomic": 0.066085718738538, "volume": 60.527449445251975, "volume_molar": 9.112620510077283, "formula_full": "Ta1 Cu1 Tc1 As1", "formula_reduced": "TaCuTcAs", "formula_anonymous": "ABCD", "formation_energy": 0.11535977, "spacegroup": 216 }, { "id": "oqmd-998913", "created_at": "2022-09-04T15:26:13.838237Z", "updated_at": "2022-09-04T15:26:13.838262Z", "structure_string": "Ta1 Cu1 Tc1 As1\n1.0\n0.000000 3.084135 3.084135\n3.084135 0.000000 3.084135\n3.084135 3.084135 0.000000\nAs Cu Ta Tc\n1 1 1 1\ndirect\n0.249999 0.249999 0.249999 As\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Ta\n0.500001 0.500001 0.500001 Tc\n", "nsites": 4, "nelements": 4, "elements": [ "As", "Cu", "Ta", "Tc" ], "chemical_system": "As-Cu-Ta-Tc", "density": 11.813742842964135, "density_atomic": 0.068175739268087, "volume": 58.67189770060031, "volume_molar": 8.833260665233386, "formula_full": "Ta1 Cu1 Tc1 As1", "formula_reduced": "TaCuTcAs", "formula_anonymous": "ABCD", "formation_energy": 0.0656851449999998, "spacegroup": 216 }, { "id": "oqmd-998912", "created_at": "2022-09-04T15:26:14.739740Z", "updated_at": "2022-09-04T15:26:14.739768Z", "structure_string": "In1 Cu1 As1 Rh1\n1.0\n0.000000 3.232545 3.232545\n3.232545 0.000000 3.232545\n3.232545 3.232545 0.000000\nAs Cu In Rh\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 As\n0.749999 0.749999 0.749999 Cu\n0.250000 0.250000 0.250000 In\n0.500001 0.500001 0.500001 Rh\n", "nsites": 4, "nelements": 4, "elements": [ "As", "Cu", "In", "Rh" ], "chemical_system": "As-Cu-In-Rh", "density": 8.75524749691705, "density_atomic": 0.059210163121192975, "volume": 67.55596994071256, "volume_molar": 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"2022-09-04T15:26:14.827792Z", "structure_string": "Sc1 Cu1 As1 Rh1\n1.0\n0.000000 3.126678 3.126678\n3.126678 0.000000 3.126678\n3.126678 3.126678 0.000000\nAs Cu Rh Sc\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 As\n0.750001 0.750001 0.750001 Cu\n0.500000 0.500000 0.500000 Rh\n0.000000 0.000000 0.000000 Sc\n", "nsites": 4, "nelements": 4, "elements": [ "As", "Cu", "Rh", "Sc" ], "chemical_system": "As-Cu-Rh-Sc", "density": 7.777409798807103, "density_atomic": 0.06543054264135188, "volume": 61.13352936602444, "volume_molar": 9.203867974944819, "formula_full": "Sc1 Cu1 As1 Rh1", "formula_reduced": "ScCuAsRh", "formula_anonymous": "ABCD", "formation_energy": -0.5664708375, "spacegroup": 216 } ] }{ "count": 1013513, "next": "